N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
Formula:C19H20N4O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline is not a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline |
| MolecularFormula | C19H20N4O7S |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCOCC2)(=O)=O)c1N/N=C\c(cc1)cc2c1OCCO2)=O |
| InChI | InChI=1S/C19H20N4O7S/c24-23(25)17-12-15(31(26,27)22-5-7-28-8-6-22)2-3-16(17)21-20-13-14-1-4-18-19(11-14)30-10-9-29-18/h1-4,11-13,21H,5-10H2 |
| InChIK | YPNKIGCQOGVTDX-UHFFFAOYSA-N |
| TotalMolweight | 448.455 |
| Molweight | 448.455 |
| MonoisotopicMass | 448.105271 |
| CLogP | 2.9409 |
| CLogS | -2.997 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 317.35 |
| Relative PSA | 0.36401 |
| PolarSurfaceArea | 143.66 |
| Druglikeness | -11.269 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
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